File:OH orb5.jpg

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Summary

Author: <a href="https://en.wikipedia.org/wiki/User:RedAndr" class="extiw" title="en:User:RedAndr">Andrew Ryzhkov</a> The hydroxyl radical molecular structure was calculated by <a href="https://en.wikipedia.org/wiki/MRCI" class="extiw" title="w:MRCI">MRCI</a>/<a href="https://en.wikipedia.org/wiki/Basis_set_(chemistry)#Double.2C_triple.2C_quadruple_zeta_basis_sets" class="extiw" title="w:Basis set (chemistry)">aug-CC-pVTZ</a> method using <a href="https://en.wikipedia.org/wiki/MOLPRO" class="extiw" title="w:MOLPRO">MOLPRO</a> suite of quantum chemistry programs. Then it was visualized by the <a href="https://en.wikipedia.org/wiki/MOGL" class="extiw" title="w:MOGL">MOGL</a>/<a href="https://en.wikipedia.org/wiki/Molden" class="extiw" title="w:Molden">Molden</a> program.

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	Date/Time	Thumbnail	Dimensions	User	Comment
current	22:53, 5 January 2017		914 × 765 (75 KB)	127.0.0.1 (talk)	Author: <a href="https://en.wikipedia.org/wiki/User:RedAndr" class="extiw" title="en:User:RedAndr">Andrew Ryzhkov</a> The hydroxyl radical molecular structure was calculated by <a href="https://en.wikipedia.org/wiki/MRCI" class="extiw" title="w:MRCI">MRCI</a>/<a href="https://en.wikipedia.org/wiki/Basis_set_(chemistry)#Double.2C_triple.2C_quadruple_zeta_basis_sets" class="extiw" title="w:Basis set (chemistry)">aug-CC-pVTZ</a> method using <a href="https://en.wikipedia.org/wiki/MOLPRO" class="extiw" title="w:MOLPRO">MOLPRO</a> suite of quantum chemistry programs. Then it was visualized by the <a href="https://en.wikipedia.org/wiki/MOGL" class="extiw" title="w:MOGL">MOGL</a>/<a href="https://en.wikipedia.org/wiki/Molden" class="extiw" title="w:Molden">Molden</a> program.

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